(2R)-N-[2-(dimethylamino)ethyl]-N-methyl-2-(methylamino)but-3-enamide

C10H21N3O — CID 89177284

IUPAC(2R)-N-[2-(dimethylamino)ethyl]-N-methyl-2-(methylamino)but-3-enamide
SMILESC=C[C@@H](NC)C(=O)N(C)CCN(C)C
InChIInChI=1S/C10H21N3O/c1-6-9(11-2)10(14)13(5)8-7-12(3)4/h6,9,11H,1,7-8H2,2-5H3/t9-/m1/s1
InChIKeyXWYLBRRPFJSVJZ-SECBINFHSA-N
MW199.30 g/mol
LogP-0.22
Rot. Bonds6

About (2R)-N-[2-(dimethylamino)ethyl]-N-methyl-2-(methylamino)but-3-enamide

(2R)-N-[2-(dimethylamino)ethyl]-N-methyl-2-(methylamino)but-3-enamide (PubChem CID 89177284) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is (2R)-N-[2-(dimethylamino)ethyl]-N-methyl-2-(methylamino)but-3-enamide.

Molecular Properties

Compound Name(2R)-N-[2-(dimethylamino)ethyl]-N-methyl-2-(methylamino)but-3-enamide
PubChem CID89177284
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name(2R)-N-[2-(dimethylamino)ethyl]-N-methyl-2-(methylamino)but-3-enamide
SMILESC=C[C@@H](NC)C(=O)N(C)CCN(C)C
InChIInChI=1S/C10H21N3O/c1-6-9(11-2)10(14)13(5)8-7-12(3)4/h6,9,11H,1,7-8H2,2-5H3/t9-/m1/s1
InChIKeyXWYLBRRPFJSVJZ-SECBINFHSA-N
XLogP-0.22
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(dimethylamino)ethyl]-N-methyl-2-(methylamino)but-3-enamide?
The IUPAC name of (2R)-N-[2-(dimethylamino)ethyl]-N-methyl-2-(methylamino)but-3-enamide (CID 89177284) is (2R)-N-[2-(dimethylamino)ethyl]-N-methyl-2-(methylamino)but-3-enamide.
What is the SMILES notation for (2R)-N-[2-(dimethylamino)ethyl]-N-methyl-2-(methylamino)but-3-enamide?
The canonical SMILES for (2R)-N-[2-(dimethylamino)ethyl]-N-methyl-2-(methylamino)but-3-enamide is C=C[C@@H](NC)C(=O)N(C)CCN(C)C.
What is the InChIKey of (2R)-N-[2-(dimethylamino)ethyl]-N-methyl-2-(methylamino)but-3-enamide?
The InChIKey is XWYLBRRPFJSVJZ-SECBINFHSA-N. The full InChI is InChI=1S/C10H21N3O/c1-6-9(11-2)10(14)13(5)8-7-12(3)4/h6,9,11H,1,7-8H2,2-5H3/t9-/m1/s1.
What are the key properties of (2R)-N-[2-(dimethylamino)ethyl]-N-methyl-2-(methylamino)but-3-enamide?
(2R)-N-[2-(dimethylamino)ethyl]-N-methyl-2-(methylamino)but-3-enamide has a molecular weight of 199.30 g/mol, XLogP of -0.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(dimethylamino)ethyl]-N-methyl-2-(methylamino)but-3-enamide is sourced from PubChem (CID 89177284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).